5-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate IUPAC Name: 5-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-valerate Formula: C19H21N2O5S- MolecularWeight: 389.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H22N2O5S/c22-15(8-3-9-16(23)24)21-19-17(13-6-1-2-7-14(13)27-19)18(25)20-11-12-5-4-10-26-12/h4-5,10H,1-3,6-9,11H2,(H,20,25)(H,21,22)(H,23,24)/p-1